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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Negative Schottky Barriers and Spin-Polarized Fermi Crossings at WSe 2 /NbSe 2 Interfaces

Discovering and engineering spin-polarized surface states in the electronic structures of condensed matter systems is a crucial first step in the development of spintronic devices, wherein spin-polarized bands crossing the Fermi level can facilitate information transfer. Here, through nanofocused angle-resolved photoemission spectroscopy (nano-ARPES) and density functional theory-based calculations, we show that the interface between monolayer WSe 2 and metallic NbSe 2 exhibits a negative Schottky barrier height of ∼ −30 meV: the K-point valleys of the semiconducting layer are shifted by ∼800 meV to produce a surface-localized Fermi surface populated only by spin-polarized charge carriers. By increasing the WSe 2 thickness, the Fermi pockets can be moved from K to Γ, demonstrating tunability of novel semimetallic phases that exist atop a substrate additionally possessing charge density wave and superconducting phases. Together, this study provides a spectroscopic understanding into p-type, Schottky barrier-free interfaces, which are of urgent interest for bypassing the limitations of current-generation vertical field effect transistors, in addition to longer-term spintronics development.

2D material heterostructures↗
NASA NTRS1998

Upper Limits of Predictability in Long-Range Climate/Hydrologic Forecasts

The accurate forecasting of el nino or la nina conditions in the tropical Pacific can potentially lead to valuable predictions of hydrological anomalies over land at seasonal to interannual timescales. Even with highly accurate earth system models, though, our ability to generate these continental forecasts will always be limited by the chaotic nature of the atmospheric circulation. The nature of this fundamental limitation is explored through the use of 16-member ensembles of multi-decade GCM simulations. In each simulation of the first ensemble, sea surface temperatures (SSTs) are given the same realistic interannual variations over a 45-year period, and land surface state is allowed to evolve with that of the atmosphere. Analysis of the results shows that the SSTs control the temporal organization of continental precipitation anomalies to a significant extent in the tropics and to a much smaller extent in midlatitudes. In each simulation of the second ensemble, we prescribe SSTs as before, but we also prescribe interannual variations in the low frequency component of evaporation efficiency over land. Thus, in the second ensemble, we effectively make the extreme assumption that surface boundary conditions across the globe are perfectly predictable, and we quantify the consistency with which the atmosphere (particularly precipitation) responds to these boundary conditions. The resulting "absolute upper limit" on the predictability of precipitation is found to be quite high in the tropics yet only moderate in many midlatitude regions.

Koster, R. D.↗
DOE OSTI2026

Shapeshifting Nanocatalyst for CO2 Conversion

The conversion of CO2 into high-value chemicals through a photoreduction reaction in water is a promising route to reduce the dependence on fossil fuels. Enhancing selectivity toward hydrocarbons or alcohols can be achieved by Ag-Cu alloys. However, the stabilized surface state created by Ag-Cu interactions is still poorly understood. In this work, multi-modal in situ X-ray experiments reveals underlying mechanisms and the evolution of Ag-Cu nanoparticles under CO2 reduction reaction (CO2RR) conditions. Both morphological and chemical changes of Ag and Cu species induced by diffusion mechanics are tracked during nanocatalyst operation. The initial spheroid Ag-Cu nanoparticles are composed of a Cu-rich shell and Ag-rich core. The reduction treatment promotes Ag migration toward the surface. During photocatalytic CO2 reduction reaction, Cu atoms migrate back to the surface, forming Ag-Cu-O species. The study observes the surface oxidation of Cu(0) to Cu+ and the presence of Ag at the sub-surface region. Furthermore, nanoparticles change their shape, decreasing their specific surface area, driven by Cu diffusion during the CO2 photoreduction reaction. The results provide invaluable insights into the dynamic restructuring of the catalyst under reaction conditions and into the active species responsible for CO2 conversion.

CO2 reduction reaction↗
NASA NTRSDate not supplied

Unsteady PSP in the NASA Transonic Dynamics Tunnel

For the first time, unsteady pressure sensitive paint (uPSP) has been applied in the NASA Langley Transonic Dynamics Tunnel. Obtaining global surface pressure measurements using the uPSP technique required the development of a new paint formulation for use in the low oxygen heavy gas atmosphere, as well as environmental enclosures to protect sensitive electro-optical components from the high temperature, low pressure environment present during tunnel operation. A high-speed datalink connecting the wind tunnel to Langley’s local high performance compute resource was also established for this test to enable near real time processing of the large datasets that were obtained throughout the campaign. A high-speed lifetime measurement technique was also utilized to yield steady state surface pressures at each condition using the same equipment that was used to provide unsteady measurements. Important metrics such as pressure time histories and power spectral density are compared against traditional unsteady pressure point measurements, and more advanced data products such as dynamic mode decomposition are also explored to provide insight into the underlying flow phenomena.

Daniel T. Reese↗
NASA NTRS2019

Understanding the Impacts of Soil Moisture Initial Conditions on NWP in the Context of Land-Atmosphere Coupling

The role of soil moisture in NWP has gained more attention in recent years, as studies have demonstrated impacts of land surface states on ambient weather from diurnal to seasonal scales. However, soil moisture initialization approaches in coupled models remain quite diverse in terms of their complexity and observational roots, while assessment using bulk forecast statistics can be simplistic and misleading. In this study, a suite of soil moisture initialization approaches is used to generate short-term coupled forecasts over the U.S. Southern Great Plains using NASA’s Land Information System (LIS) and NASA Unified WRF (NU-WRF) modeling systems. This includes a wide range of currently used initialization approaches, including soil moisture derived from ‘off-the-shelf’ products such as atmospheric models and land data assimilation systems, high-resolution land surface model spinups, and satellite-based soil moisture products from SMAP. Results indicate that the spread across initialization approaches can be quite large in terms of soil moisture conditions and spatial resolution, and that SMAP performs well in terms of heterogeneity and temporal dynamics when compared against high resolution land surface model and in-situ soil moisture estimates. Case studies are analyzed using the local land-atmosphere coupling (LoCo) framework that relies on integrated assessment of soil moisture, surface flux, boundary layer, and ambient weather, with results highlighting the critical role of inherent model background biases. In addition, simultaneous assessment of land vs. atmospheric initial conditions in an integrated, process-level fashion can help address the question of whether improvements in traditional NWP verification statistics are achieved for the right reasons.

Southern Great Plains↗
NASA NTRS2005

Evolution of the Electron Yield Curves of Insulators as a Function of Impinging Electron Fluence and Energy

Electron emission and concomitant change accumulation near the surface of insulators in central to understanding spacecraft charging. We present a study of changes in electron emission yields as a result of internal charge build up due to electron dose. Evolution of total, backscattered and secondary yield results over a broad range of incident energies are presented for two representative insulators, Kapton(trademark) and Al2O3. Reliable yield curves for uncharged insulators are measured and quantifiable changes in yield are observed due to < 100 fC/sq mm fluences. We find excellent agreement with a phenomenological argument based on insulator charging predicted by the yield curve; this includes a decrease in the rate of change of the yield as incident energies approach the crossover energies and as accumulated internal charge reduces the landing energy to asymptotically approach a steady state surface charge and unity yield. We also find that the exponential decay of yield curves with fluence exhibit an energy dependent decay constant, alpha(E). Finally, we discuss physics based models for this energy dependence. To understand fluence and energy dependence of these charging processes requires knowledge of how charge is deposited within the insulator, the mechanisms for charge trapping and transport within the insulator, and how the profile of trapped charge affects the transport and emission of charges from insulators.

Sim, Alec↗
NASA NTRS2018

Improving the SMAP Level-4 Soil Moisture Product

The NASA Soil Moisture Active Passive (SMAP) mission generates, among other data sets, the Level 4 Soil Moisture (L4 SM) product. The L4 SM algorithm is based on the assimilation of SMAP radiometer brightness temperature observations into the NASA Catchment land surface model using a spatially distributed ensemble Kalman filter. The L4 SM data are published with a mean latency of approx. 2.5 days from the time of observation and provide global, three-hourly, 9 km resolution estimates of surface and root-zone soil moisture and related land surface states and fluxes. In 2018, the product was upgraded from Version 3 to Version 4. Underlying the new version is a revised modeling system that includes improved input parameter datasets for land cover, topography, and vegetation height that are based on recent, high quality space-borne remote sensing observations. Land cover inputs were updated to the GlobCover2009 product, which is based on satellite observations from the Medium Resolution Imaging Spectrometer. Topographic statistics now rely on observations from the Shuttle Radar Topography Mission. Finally, vegetation height inputs are derived from space-borne Lidar measurements. Additionally, SMAP Level-2 soil moisture retrievals and in situ soil moisture measurements were used to calibrate a particular Catchment model parameter that governs the recharge of soil moisture from the models root-zone excess reservoir into the surface excess reservoir. Specifically, the replenishment of soil moisture near the surface from below under non-equilibrium conditions was substantially reduced, which brings the models surface soil moisture more in line with the SMAP Level 2 and in situ soil moisture. Finally, the calibration of the assimilated SMAP brightness temperatures changed substantially from Version 3 to Version 4. Considerable effort went into the version upgrade, creating an expectation that the new version is improved over the old version. Indeed, some aspects of the new version are clearly better. However, other aspects are not, and on balance, the overall improvement is modest at best. In this presentation we summarize the skill of the new and old versions vs. independent in situ measurements and in terms of data assimilation diagnostics, including, for example, the statistics of the (soil moisture) analysis increments and the observation minus forecast (brightness temperatures) residuals. We share our experience with trying to improve to the L4 SM product and the lessons learned from the effort.

Reichle, Rolf↗
DOE OSTI2025

Analysis of Niobium Electropolishing Using a Generalized Distribution of Relaxation Times Method

Using electrochemical impedance spectroscopy, we have devised a method of sensing the microscopic surface conditions on the surface of niobium as it is undergoing an electrochemical polishing (EP) treatment. The method uses electrochemical impedance spectroscopy (EIS) to gather information on the surface state of the electrode without disrupting the polishing reaction. The EIS data is analyzed using a so-called distribution of relaxation times (DRT) method. Using DRT, the EIS data can be deconvolved into discrete relaxation time peaks without any a priori knowledge of the electrode dynamics. By analyzing the relaxation time peaks, we are able to distinguish two distinct modes of the EP reaction. As the polishing voltage is increased, the electrode transitions from the low voltage EP mode, characterized by a single relaxation time peaks, to the high voltage EP mode, characterized by two relaxation time peaks. We theorize that this second peak is caused by the formation of an oxide layer on the electrode. We also find that this oxide induced peak transitions from to a negative relaxation time, which is indicative of a blocking electrode process. By analyzing EPed samples, we show that samples polished in the low voltage mode have significantly higher surface roughness due to grain etching and faceting. We find that the surface roughness of the samples only improves when the oxide film peak is present and in the negative relaxation time region. This shows that EIS combined with DRT analysis can be used to predict etching on EPed Nb. This method can also be performed before or during the EP, which could allow for adjustment of polishing parameters to guarantee a smooth cavity surface finish.

43 PARTICLE ACCELERATORS↗
NASA NTRS1985

Evolution of Titan's coupled ocean-atmosphere system and interaction of ocean with bedrock

A recent model for the surface state of Titan proposes a liquid ethane-methane-molecular nitrogen layer of order one kilometer thick which because of stratospheric methane photolysis has become increasingly ethane-rich with time. The interaction of such an ocean with the underlying 'bedrock' of Titan (assumed to be water-ice or ammonia hydrate) and with the primarily nitrogen atmosphere is explored. It is concluded that although modest exchange of oceanic hydrocarbons with enclathrated methane in the bedrock can in principle occur, it is unlikely for reasonable regolith depths. The surprisingly high solubility of water-ice in liquid methane implies that topographic features on Titan of order 100 meters in height can be eroded away on a time scale of one-billion years. The large solubility difference of N2 in methane versus ethane implies that the ocean composition is a strong determinant of atmospheric pressure; a simple radiative model of the Titan atmosphere is employed to demonstrate that significant surface pressure and temperature changes can occur as the oceanic composition evolves with time.

Lunine, J. I.↗
DOE OSTI2025

In Situ Electrochemistry of Buried Interfaces in Metal Halide Perovskites: Probing Energy Bands, Halide Redox Activity, and Kinetics

Control over charge injection and extraction processes across buried interfaces is fundamental for all (opto)electronic multilayer device platforms, necessitating detailed understanding of local structural and chemical differences that promote defect formation, distort energetic band-edge alignments, and alter charge transport processes. Herein, the implementation of a low-cost electroanalytical methodologies’ tool suite is described to quantitatively characterize buried interfaces and redox reactions in printable, mixed electrical–ionic, and redox-active metal halide perovskites and a prototypical hole-transporting nickel oxide (NiO x ) thin film. The objective is to demonstrate the power of electrochemical methodologies to improve the nanoscale understanding of complex interfaces within optoelectronic devices by providing case studies on how to: i) differentiate between electronic and chemical properties in NiO x contacts; ii) measure changes in reversibility of halide redox reactions via NiO x surface states; iii) assess energy alignment and charge transport across (modified) buried interfaces; and iv) quantify defects at buried interfaces that change with modifiers and differences in perovskite processing, including increasing defect concentrations when films are slot-die-coated versus spin-cast. The collective approach addresses major challenges in understanding the precise energy landscape and interface reactivity under relevant electric fields that mimic operando conditions (away from equilibrium) and across length scales in thin film device formats.

(spectro)electrochemistry↗
DOE OSTI2025

Tuning Interface Electronic Properties via Chiral Two‐Dimensional Metal‐Organic Frameworks

Control over structural symmetries in nanomaterials offers a powerful approach to engineer electronic properties. For instance, breaking of mirror symmetries in two-dimensional (2D) materials with a hexagonal lattice can lead to nontrivial electronic topologies and correlated-electron phenomena. Yet, the impact of structural chirality on the electronic properties of 2D materials and interfaces remains underexplored. Here, how chiral phases of a 2D metal-organic framework (MOF) with a hexagonal lattice—consisting of hexaazatriphenylene molecules coordinated to Cu atoms—scatter, confine, and perturb the Shockley surface state (SS) electrons of an underlying Ag(111) substrate is investigated. Via low-temperature scanning tunneling microscopy and spectroscopy, noncontact atomic force microscopy, and numerical calculations based on an electronic plane-wave expansion method, modifications of the Ag(111) SS band structure are shown and quantified, including gap openings and lifts of band degeneracies, driven exclusively by the structural chirality of the 2D MOF phases. These findings highlight how structural symmetries, in particular chirality, affect electronic states at material interfaces, expanding on the toolkit for designing 2D materials with tailored electronic properties.

band structure engineering↗
DOE OSTI2025

Insulator-to-Metal Transition under High Pressure in FeNb 3 Se 10

Nonmagnetic FeNb 3 Se 10 has been demonstrated to be an insulator at ambient pressure through both theoretical calculations and experimental measurements, and it does not host topological surface states. Here, we show that on the application of pressure, FeNb 3 Se 10 transitions to a metallic state at around 3.0 GPa. With a further increase in pressure, its resistivity becomes independent of both temperature and pressure. Its crystal structure is maintained to at least 4.4 GPa.

crystal structure↗
DOE OSTI2025

Topological Surface Superconductivity via Josephson Coupling in Bi 2 Te 3 /Nb

Since discoveries of protected conducting surface states, topological superconducting qubits have enchanted quantum science as prime elements in future fault-tolerant devices, particularly those based on Josephson junctions containing topological insulators. Still, Josephson coupling is often eclipsed by other proximity effects that can dilute topological superconducting pairing at the nontrivial insulator’s boundaries. Here, however, using an ultra-low-temperature scanning tunneling microscope, we detect Josephson physics in topological Bi 2 Te 3 films on superconducting Nb. At low temperatures, a previously undetected proximity gap varies little with Bi 2 Te 3 thickness and the density of states exhibits normal and superconducting components. Such observations are rationalized via Josephson pair tunneling through the (nearly) insulating Bi 2 Te 3 bulk, creating a rare, pure topological superconducting sheet. Our findings establish routes toward accessible topological superconducting states in qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nanoscale Control of Intrinsic Magnetic Topological Insulator MnBi 2 Te 4 Using Molecular Beam Epitaxy: Implications for Defect Control

Intrinsic magnetic topological insulators have emerged as a promising platform to study the interplay between the topological surface states and ferromagnetism. This unique interplay can give rise to a variety of exotic quantum phenomena, including the quantum anomalous Hall effect and axion insulating states. Here, in this study, utilizing molecular beam epitaxy (MBE), we present a comprehensive study of the growth of MnBi 2 Te 4 thin films on Si (111), epitaxial graphene, and highly ordered pyrolytic graphite substrates. By combining a suite of in situ characterization techniques, we obtain critical insights into the nanoscale control of MnBi 2 Te 4 epitaxial growth. First, we extract the free energy landscape for the epitaxial relationship as a function of the in-plane angular distribution. Then, by employing an optimized layer-by-layer growth, we determine the chemical potential and Dirac point of the thin film at different thicknesses and how this quantity is manifested by the dopant compensation from different antisite defects. Overall, these results establish a foundation for understanding the growth kinetics of MnBi 2 Te 4 and pave the way for future applications of MBE-grown thin films in emerging topological quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Terahertz Dirac Hyperbolic Metamaterial

Hyperbolic metamaterials (HMMs) are engineered materials with a hyperbolic isofrequency surface, enabling a range of interesting phenomena and applications including negative refraction, enhanced sensing, and subdiffraction imaging, focusing, and waveguiding. Existing HMMs primarily work in the visible and infrared spectral range due to the inherent properties of their constituent materials. Here, we demonstrate a THz-range Dirac HMM using topological insulators as the building blocks. Here, we find that the structure houses up to three high-wavevector volume plasmon polariton (VPP) modes, consistent with transfer matrix modeling and effective medium theory calculations. The VPPs have mode indices greater than 100, significantly larger than observed for VPP modes in HMMs made from metals or doped semiconductors while maintaining comparable quality factors. We attribute these properties to the two-dimensional Dirac nature of the electrons occupying the topological insulator surface states. Because these are van der Waals materials, these structures can be grown at a wafer-scale on a variety of substrates, allowing them to be integrated with existing THz structures and enabling next-generation THz optical devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Operando TEM study of a working copper catalyst during ethylene oxidation

Active catalysts are typically metastable, and their surface state depends on the gas-phase chemical potential and reaction kinetics. To gain relevant insights into structure-performance relationships, it is essential to investigate catalysts under their operational conditions. Here, we use operando TEM combining real-time observations with online mass spectrometry (MS) to study a Cu catalyst during ethylene oxidation. We identify three distinct regimes characterized by varying structures and states that show different selectivities with temperature, and elucidate the reaction pathways with the aid of theoretical calculations. Our findings reveal that quasi-static Cu 2 O at low temperatures is selective towards ethylene oxide (EO) and acetaldehyde (AcH) via an oxometallacycle (OMC) pathway. In the dynamic Cu 0 /Cu 2 O oscillation regime at medium temperatures, partially reduced and strained oxides decrease the activation energies associated with partial oxidation. At high temperatures, the catalyst is predominantly Cu 0 , partially covered by a monolayer Cu 2 O. While Cu 0 is extremely efficient in dehydrogenation and eventual combustion, the monolayer oxide favors direct EO formation. These results challenge conclusions drawn from ultra-high vacuum studies that suggested metallic copper would be a selective epoxidation catalyst and highlight the need for operando study under realistic conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Floquet–Bloch manipulation of the Dirac gap in a topological antiferromagnet

Floquet–Bloch manipulation, achieved by driving a material periodically with a laser pulse, is a method that enables the engineering of electronic and magnetic phases in solids by effectively modifying the structure of their electronic bands. However, the application of Floquet–Bloch manipulation in topological magnetic systems, particularly those with inherent disorder, remains largely unexplored. Here, in this study, we realize Floquet–Bloch manipulation of the Dirac surface-state mass of the topological antiferromagnet MnBi 2 Te 4 . Using time- and angle-resolved photoemission spectroscopy, we show that opposite helicities of mid-infrared circularly polarized light result in substantially different Dirac mass gaps in the antiferromagnetic phase, despite the equilibrium Dirac cone being massless. We explain our findings in terms of a Dirac fermion with a random mass. Our results underscore Floquet–Bloch manipulation as a powerful tool for controlling topology, even in the presence of disorder, and for uncovering properties of materials that may elude conventional probes.

42 ENGINEERING↗
DOE OSTI2025

Inhomogeneity in electronic phase and flat band in magnetic kagome metal Co 3 Sn 2 S 2

Co 3 Sn 2 S 2 has been reported to be a Weyl semimetal with c-axis ferromagnetism below a Curie temperature of 177 K. Despite the large interest in Co 3 Sn 2 S 2 , the magnetic structure is still unclear. Recent studies have challenged the magnetic phase diagram of Co 3 Sn 2 S 2 by reporting unusual magnetic phases including the presence of exchange bias. Here we show, using X-ray Magnetic Circular Dichroism, a shift in the magnetization hysteresis loop, reminiscent of exchange bias and establish that the magnetic moment in Co arises from the spin, with negligible orbital moment. At 6 K, using spatially-resolved angle-resolved photoemission spectroscopy, we detect a butterfly-shaped electronic band structure at small regions of the sample distinct from the known ferromagnetic band structure. Our density functional theory calculations suggest that the butterfly bands correspond to an antiferromagnetic phase. Separately, we detect a sharp flat band at the Fermi level at some regions in the sample, which we attribute to a surface state. These different electronic states found in a stoichiometric intermetallic invite further efforts to explore the origin and nature of the electronic inhomogeneity associated to magnetism on the mesoscale.

Electronic properties and materials↗